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1-[2-hydroxy-6-(trifluoromethyl)pyridin-3-yl]ethanone

1-[2-hydroxy-6-(trifluoromethyl)pyridin-3-yl]ethanone

CAS: 116548-05-1

Formula: C8H6F3NO2

SMILES: CC(=O)C1=C(O)N=C(C=C1)C(F)(F)F

IUPAC: 1-[2-hydroxy-6-(trifluoromethyl)pyridin-3-yl]ethan-1-one

InChI: InChI=1S/C8H6F3NO2/c1-4(13)5-2-3-6(8(9,10)11)12-7(5)14/h2-3H,1H3,(H,12,14)

Composition: C (46.84%), H (2.95%), F (27.78%), N (6.83%), O (15.60%)

Molar Mass: 205.136

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 205.035062926
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey OCXZQCGYAFJZQA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.2
Topological Polar Surface Area 50.19
Polarizability 15.2
Ring Count 1
Rotatable Bond Count 2

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